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PEAKDALE-ZINC01496571

 MMsINC code: MMs02610059
Type: Neutral
Formula: C19H24N4O5
SMILES:   O(c1ccccc1C(=O)NC(CC(C)C)C(=O)N)c1nc(OC)cc(OC)n1
InChI:   InChI=1/C19H24N4O5/c1-11(2)9-13(17(20)24)21-18(25)12-7-5-6-8-14(12)28-19-22-15(26-3)10-16(23-19)27-4/h5-8,10-11,13H,9H2,1-4H3,(H2,20,24)(H,21,25)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=66.7689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.424 g/mol  logS: -5.37958  SlogP: 1.9159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206075  Sterimol/B1: 3.76263  Sterimol/B2: 5.31722  Sterimol/B3: 6.21982
  Sterimol/B4: 6.60252  Sterimol/L: 14.3962 
 
 Surface and Volume Properties
  Accessible surface: 658.11  Positive charged surface: 472.29  Negative charged surface: 185.819  Volume: 365.5
  Hydrophobic surface: 470.991  Hydrophilic surface: 187.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.